(2R)-6-azanyl-2-[[(2R)-2-[[(2R)-4-azanyl-2-[[(2R)-2-[[(2R)-2-[2-[[(2R)-2-[[(2R,3S)-2-azanyl-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid

Systemtic Name: (2R)-6-azanyl-2-[[(2R)-2-[[(2R)-4-azanyl-2-[[(2R)-2-[[(2R)-2-[2-[[(2R)-2-[[(2R,3S)-2-azanyl-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid Openeye Name: (2R)-6-amino-2-[[(2R)-2-[[(2R)-4-amino-2-[[(2R)-2-[[(2R)-2-[[2-[[(2R)-2-[[(2R,3S)-2-amino-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-4-oxo-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid CAS Name: (2R)-6-amino-2-[[(2R)-2-[[(2R)-4-amino-2-[[(2R)-2-[[(2R)-2-[[2-[[(2R)-2-[[(2R,3S)-2-amino-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: (2R)-6-amino-2-[[(2R)-2-[[(2R)-4-amino-2-[[(2R)-2-[[(2R)-2-[[2-[[(2R)-2-[[(2R,3S)-2-amino-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid Traditional Name: (2R)-6-amino-2-[[(2R)-2-[[(2R)-4-amino-2-[[(2R)-2-[[(2R)-2-[[2-[[(2R)-2-[[(2R,3S)-2-amino-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-4-keto-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid Formula: C50H76N14O11 MolecularWeight: 1049.22564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)N)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CCCCN)C(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CC(=O)N)C(=O)N[C@H](CC3=CC=C(C=C3)O)C(=O)N[C@H](CCCCN)C(=O)O)N

InChI

InChI=1S/C50H76N14O11/c1-5-28(4)42(53)48(73)64-36(21-27(2)3)43(68)58-26-41(67)59-38(23-30-25-57-33-12-7-6-11-32(30)33)46(71)60-34(14-10-20-56-50(54)55)44(69)63-39(24-40(52)66)47(72)62-37(22-29-15-17-31(65)18-16-29)45(70)61-35(49(74)75)13-8-9-19-51/h6-7,11-12,15-18,25,27-28,34-39,42,57,65H,5,8-10,13-14,19-24,26,51,53H2,1-4H3,(H2,52,66)(H,58,68)(H,59,67)(H,60,71)(H,61,70)(H,62,72)(H,63,69)(H,64,73)(H,74,75)(H4,54,55,56)/t28-,34+,35+,36+,37+,38+,39+,42+/m0/s1