(2S)-N-[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-1-[[(18S,21S,24S,27R)-24-(2-azanyl-2-oxidanylidene-ethyl)-21-(3-azanyl-3-oxidanylidene-propyl)-8,16,19,22,25-pentakis(oxidanylidene)-18-(phenylmethyl)-29,30-dithia-9,17,20,23,26-pentazadispiro[5.3.5^{10}.15^{6}]triacontan-27-yl]carbonyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-1-[[(18S,21S,24S,27R)-24-(2-azanyl-2-oxidanylidene-ethyl)-21-(3-azanyl-3-oxidanylidene-propyl)-8,16,19,22,25-pentakis(oxidanylidene)-18-(phenylmethyl)-29,30-dithia-9,17,20,23,26-pentazadispiro[5.3.5^{10}.15^{6}]triacontan-27-yl]carbonyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(18S,21S,24S,27R)-24-(2-amino-2-oxo-ethyl)-21-(3-amino-3-oxo-propyl)-18-benzyl-8,16,19,22,25-pentaoxo-29,30-dithia-9,17,20,23,26-pentazadispiro[5.3.5^{10}.15^{6}]triacontane-27-carbonyl]-N-[(1S)-1-[(2-amino-2-oxo-ethyl)carbamoyl]-4-guanidino-butyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[[(18S,21S,24S,27R)-24-(2-amino-2-oxoethyl)-21-(3-amino-3-oxopropyl)-8,16,19,22,25-pentaoxo-18-(phenylmethyl)-29,30-dithia-9,17,20,23,26-pentazadispiro[5.3.5^{10}.15^{6}]triacontan-27-yl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(18S,21S,24S,27R)-24-(2-amino-2-oxoethyl)-21-(3-amino-3-oxopropyl)-18-benzyl-8,16,19,22,25-pentaoxo-29,30-dithia-9,17,20,23,26-pentazadispiro[5.3.5^{10}.15^{6}]triacontane-27-carbonyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(18S,21S,24S,27R)-24-(2-amino-2-keto-ethyl)-21-(3-amino-3-keto-propyl)-18-benzyl-8,16,19,22,25-pentaketo-29,30-dithia-9,17,20,23,26-pentazadispiro[5.3.5^{10}.15^{6}]triacontane-27-carbonyl]-N-[(1S)-1-[(2-amino-2-keto-ethyl)carbamoyl]-4-guanidino-butyl]pyrrolidine-2-carboxamide Formula: C49H74N14O11S2 MolecularWeight: 1099.32906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC(=O)NC3(CCCCC3)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSS2)C(=O)N4CCCC4C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)CC5=CC=CC=C5

Isomeric SMILES

C1CCC2(CC1)CC(=O)NC3(CCCCC3)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSS2)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)CC5=CC=CC=C5

InChI

InChI=1S/C49H74N14O11S2/c50-36(64)17-16-31-41(69)59-33(25-37(51)65)43(71)60-34(45(73)63-23-11-15-35(63)44(72)58-30(14-10-22-55-47(53)54)40(68)56-27-38(52)66)28-75-76-48(18-6-2-7-19-48)26-39(67)62-49(20-8-3-9-21-49)46(74)61-32(42(70)57-31)24-29-12-4-1-5-13-29/h1,4-5,12-13,30-35H,2-3,6-11,14-28H2,(H2,50,64)(H2,51,65)(H2,52,66)(H,56,68)(H,57,70)(H,58,72)(H,59,69)(H,60,71)(H,61,74)(H,62,67)(H4,53,54,55)/t30-,31-,32-,33-,34-,35-/m0/s1