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

Systemtic Name: (4S)-4-[2-[[(2S)-1-[(2S)-5-azanyl-2-[2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]ethanoylamino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-5-[[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[2-[[(2S)-1-[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-[[(1S)-1-carbamoyl-4-guanidino-butyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[2-[[[(2S)-1-[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1,5-dioxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-5-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[2-[[(2S)-1-[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[2-[[(2S)-1-[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2,4-diamino-4-keto-butanoyl]amino]acetyl]prolyl]amino]-4-methyl-pentanoyl]amino]-5-keto-pentanoyl]amino]propanoyl]amino]acetyl]amino]-5-keto-pentanoyl]prolyl]amino]acetyl]amino]-5-[[(1S)-1-carbamoyl-4-guanidino-butyl]amino]-5-keto-valeric acid Formula: C50H83N19O17 MolecularWeight: 1222.31112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)N1CCCC1C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)C2CCCN2C(=O)CNC(=O)C(CC(=O)N)N

Isomeric SMILES

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

InChI

InChI=1S/C50H83N19O17/c1-24(2)19-31(67-48(85)33-9-5-17-68(33)39(75)23-61-43(80)26(51)20-36(54)72)46(83)66-29(10-13-34(52)70)44(81)62-25(3)42(79)59-21-38(74)64-30(11-14-35(53)71)49(86)69-18-6-8-32(69)47(84)60-22-37(73)63-28(12-15-40(76)77)45(82)65-27(41(55)78)7-4-16-58-50(56)57/h24-33H,4-23,51H2,1-3H3,(H2,52,70)(H2,53,71)(H2,54,72)(H2,55,78)(H,59,79)(H,60,84)(H,61,80)(H,62,81)(H,63,73)(H,64,74)(H,65,82)(H,66,83)(H,67,85)(H,76,77)(H4,56,57,58)/t25-,26-,27-,28-,29-,30-,31-,32-,33-/m0/s1