(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-cyclohexyl-propanoyl]amino]-3-methyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-cyclohexyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-cyclohexyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-cyclohexyl-propanoyl]amino]-3-methyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-cyclohexyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-cyclohexyl-propanoic acid Openeye Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-cyclohexyl-propanoyl]amino]-3-methyl-butanoyl]amino]-5-guanidino-pentanoyl]amino]-3-cyclohexyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-cyclohexyl-propanoic acid CAS Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-cyclohexyl-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-cyclohexyl-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-cyclohexylpropanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-cyclohexylpropanoyl]amino]-3-methylpentanoyl]amino]-3-cyclohexylpropanoic acid Traditional Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-cyclohexyl-propanoyl]amino]-3-methyl-butanoyl]amino]-5-guanidino-pentanoyl]amino]-3-cyclohexyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-cyclohexyl-propionic acid Formula: C55H89N11O8 MolecularWeight: 1032.36406

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1CCCCC1)C(=O)O)NC(=O)C(CC2CCCCC2)NC(=O)C(CCCN=C(N)N)NC(=O)C(C(C)C)NC(=O)C(CC3CCCCC3)NC(=O)C(CC4=CNC5=CC=CC=C54)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)O)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](CC3CCCCC3)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)N

InChI

InChI=1S/C55H89N11O8/c1-5-34(4)47(53(72)64-45(54(73)74)30-37-22-13-8-14-23-37)66-51(70)44(29-36-20-11-7-12-21-36)63-49(68)42(26-17-27-59-55(57)58)61-52(71)46(33(2)3)65-50(69)43(28-35-18-9-6-10-19-35)62-48(67)40(56)31-38-32-60-41-25-16-15-24-39(38)41/h15-16,24-25,32-37,40,42-47,60H,5-14,17-23,26-31,56H2,1-4H3,(H,61,71)(H,62,67)(H,63,68)(H,64,72)(H,65,69)(H,66,70)(H,73,74)(H4,57,58,59)/t34-,40-,42-,43-,44-,45-,46+,47-/m0/s1