(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-(2-azanylethanoylamino)-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]propanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-(2-azanylethanoylamino)-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]propanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[[(2S)-1-[(2S)-2-[(2-amino-1-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-(glycylamino)-5-guanidino-pentanoyl]prolyl]amino]-3-methyl-pentanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]prolyl]amino]-3-methyl-butyric acid Formula: C37H64N12O11 MolecularWeight: 852.97786

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)C(=O)NC(CO)C(=O)NCC(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)O)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)CN

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)CN

InChI

InChI=1S/C37H64N12O11/c1-6-20(4)29(47-33(56)25-12-9-15-49(25)35(58)22(44-26(51)16-38)10-7-13-41-37(39)40)34(57)43-21(5)30(53)45-23(18-50)31(54)42-17-27(52)48-14-8-11-24(48)32(55)46-28(19(2)3)36(59)60/h19-25,28-29,50H,6-18,38H2,1-5H3,(H,42,54)(H,43,57)(H,44,51)(H,45,53)(H,46,55)(H,47,56)(H,59,60)(H4,39,40,41)/t20-,21-,22-,23-,24-,25-,28-,29-/m0/s1