(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]ethanoylamino]propanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]ethanoylamino]propanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-5-guanidino-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]prolyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-5-guanidino-valeric acid Formula: C42H68N12O10 MolecularWeight: 901.06372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)NC(C)C(=O)NCC(=O)NC(C)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(C(C)C)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C42H68N12O10/c1-22(2)19-30(53-39(61)33(43)23(3)4)40(62)54-18-12-16-31(54)38(60)50-24(5)34(56)47-21-32(55)48-25(6)35(57)52-29(20-27-13-9-8-10-14-27)37(59)49-26(7)36(58)51-28(41(63)64)15-11-17-46-42(44)45/h8-10,13-14,22-26,28-31,33H,11-12,15-21,43H2,1-7H3,(H,47,56)(H,48,55)(H,49,59)(H,50,60)(H,51,58)(H,52,57)(H,53,61)(H,63,64)(H4,44,45,46)/t24-,25-,26-,28-,29-,30-,31-,33-/m0/s1