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N-[(4R,7S,13R,16S)-10-(2-Aminoethyl)-16-benzyl-4-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-7-(4-hydroxybenzyl)-13-(1H-indol-3-ylmethyl)-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]-L-alpha-asparagine
[CAS# 879497-82-2]

Identification
Name N-[(4R,7S,13R,16S)-10-(2-Aminoethyl)-16-benzyl-4-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-7-(4-hydroxybenzyl)-13-(1H-indol-3-ylmethyl)-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]-L-alpha-asparagine
Synonyms UFP 803
Molecular Structure CAS#: 879497-82-2, N-[(4R,7S,13R,16S)-10-(2-Aminoethyl)-16-benzyl-4-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-7-(4-hydroxybenzyl)-13-(1H-indol-3-ylmethyl)-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]-L-alpha-asparagine
Molecular Formula C50H63N10O12S2
Molecular Weight 1061.23
CAS Registry Number 879497-82-2
SMILES CC(C)[C@@H](C(=O)O)NC(=O)[C@@H]1CSSC(C(C(=O)N[C@H](C(=O)N[C@@H](C(=O)NC(C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)CCN)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)NC(=O)[C@H](CC(=O)O)N)(C)C
InChI 1S/C50H64N10O12S2/c1-26(2)40(49(71)72)59-47(69)38-25-73-74-50(3,4)41(60-42(64)32(52)23-39(62)63)48(70)57-36(20-27-10-6-5-7-11-27)44(66)56-37(22-29-24-53-33-13-9-8-12-31(29)33)46(68)54-34(18-19-51)43(65)55-35(45(67)58-38)21-28-14-16-30(61)17-15-28/h5-17,24,26,32,34-38,40-41,53,61H,18-23,25,51-52H2,1-4H3,(H,54,68)(H,55,65)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,60,64)(H,62,63)(H,71,72)/t32-,34?,35-,36-,37+,38-,40-,41?/m0/s1
InChIKey LRELVPJTCGYTSS-AAEZYUNISA-N
Properties
Density 1.4±0.1g/cm3 (Cal.)
Boiling point 1467.0±65.0°C at 760 mmHg (Cal.)
Flash point 841.0±34.3°C (Cal.)
Refractive index 1.678 (Cal.)
solubility Soluble in water
Market Analysis Reports
List of Reports Available for N-[(4R,7S,13R,16S)-10-(2-Aminoethyl)-16-benzyl-4-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-7-(4-hydroxybenzyl)-13-(1H-indol-3-ylmethyl)-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]-L-alpha-asparagine
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