(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoic acid CAS Name: (2R)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxopentyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoic acid Traditional Name: (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propionic acid Formula: C52H78N14O11 MolecularWeight: 1075.26292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC(C)C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CO)NC(=O)C(CCCCN)N

Isomeric SMILES

CC(C)C[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CO)C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@@H](CO)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C52H78N14O11/c1-28(2)20-38(46(71)60-37(17-11-19-57-52(55)56)45(70)66-43(27-68)51(76)77)61-48(73)40(22-30-24-58-35-15-7-5-12-32(30)35)63-47(72)39(21-29(3)4)62-49(74)41(23-31-25-59-36-16-8-6-13-33(31)36)64-50(75)42(26-67)65-44(69)34(54)14-9-10-18-53/h5-8,12-13,15-16,24-25,28-29,34,37-43,58-59,67-68H,9-11,14,17-23,26-27,53-54H2,1-4H3,(H,60,71)(H,61,73)(H,62,74)(H,63,72)(H,64,75)(H,65,69)(H,66,70)(H,76,77)(H4,55,56,57)/t34-,37-,38+,39+,40-,41-,42+,43+/m0/s1