2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[2-[2-[2-[[(2S)-1-[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]ethanoylamino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[2-[2-[2-[[(2S)-1-[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]ethanoylamino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-1-[(2S)-2-amino-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]acetic acid CAS Name: 2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[2-[[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]acetic acid IUPAC Name: 2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetic acid Traditional Name: 2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-1-[(2S)-2-amino-5-guanidino-pentanoyl]prolyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]acetic acid Formula: C34H60N12O11 MolecularWeight: 812.914

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)CNC(=O)CNC(=O)CNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C34H60N12O11/c1-5-19(4)28(32(56)42-16-27(51)52)45-29(53)21(12-18(2)3)44-30(54)22(17-47)43-26(50)15-40-24(48)13-39-25(49)14-41-31(55)23-9-7-11-46(23)33(57)20(35)8-6-10-38-34(36)37/h18-23,28,47H,5-17,35H2,1-4H3,(H,39,49)(H,40,48)(H,41,55)(H,42,56)(H,43,50)(H,44,54)(H,45,53)(H,51,52)(H4,36,37,38)/t19-,20-,21-,22-,23-,28-/m0/s1